(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine

C11H18FN3 — CID 129488138

IUPAC(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine
SMILESCn1ccnc1CN1CCC[C@@](C)(F)C1
InChIInChI=1S/C11H18FN3/c1-11(12)4-3-6-15(9-11)8-10-13-5-7-14(10)2/h5,7H,3-4,6,8-9H2,1-2H3/t11-/m1/s1
InChIKeyNOWFKDXFCJYFNF-LLVKDONJSA-N
MW211.28 g/mol
LogP1.74
Rot. Bonds2

About (3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine

(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine (PubChem CID 129488138) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is (3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine
PubChem CID129488138
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine
SMILESCn1ccnc1CN1CCC[C@@](C)(F)C1
InChIInChI=1S/C11H18FN3/c1-11(12)4-3-6-15(9-11)8-10-13-5-7-14(10)2/h5,7H,3-4,6,8-9H2,1-2H3/t11-/m1/s1
InChIKeyNOWFKDXFCJYFNF-LLVKDONJSA-N
XLogP1.74
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 64949409
9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131655738
11-[(1-methylimidazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64949408
9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane
CID 97484524
(5R)-2-[(1-methylimidazol-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97450006
2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine
CID 129349414
[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 45203607
4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488154
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 171533329
4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine
CID 129488025
4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine
CID 129488024

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine?
The IUPAC name of (3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine (CID 129488138) is (3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for (3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for (3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine is Cn1ccnc1CN1CCC[C@@](C)(F)C1.
What is the InChIKey of (3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine?
The InChIKey is NOWFKDXFCJYFNF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18FN3/c1-11(12)4-3-6-15(9-11)8-10-13-5-7-14(10)2/h5,7H,3-4,6,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine?
(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine has a molecular weight of 211.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 129488138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).